{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.701429 0.717065 0.5 ] [ 0.282935 0.984365 0.5 ] [ 0.015635 0.298571 0.5 ] [ 0.638881 0.010482 0 ] [ 0.989518 0.628399 0 ] [ 0.371601 0.361119 0 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.139654 0.578381 0.5 ] [ 0.438727 0.860346 0.5 ] [ 0.421619 0.561273 0.5 ] [ 0.115014 0.92142 0 ] [ 0.806406 0.884986 0 ] [ 0.07858 0.193594 0 ] [ 0.747919 0.220943 0.5 ] [ 0.473024 0.252081 0.5 ] [ 0.779057 0.526976 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Mn" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.27041982948 "source-unit" "angstrom" } "c" { "source-value" 3.19468288 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.321619426111111 "source-unit" "eV" } }